USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 180:sc=-0.00342 USER MOD Set 1.2: A 40 MET CE :methyl 171:sc= -0.0421 (180deg=-0.242) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 162:sc= -1 (180deg=-1.29) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -140:sc= -1.75! (180deg=-4.94!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -24:sc= 0.524! USER MOD Single : A 31 SER OG : rot 59:sc=-0.00321 USER MOD Single : A 33 HIS : no HE2:sc= 0.765 K(o=0.77,f=-2.3!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.72) USER MOD Single : A 38 ASN : amide:sc= 0.944 K(o=0.94,f=-0.29) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.75 F(o=-3.8!,f=-0.75) USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 5.544 -2.069 11.830 1.00 0.00 N ATOM 2 CA ASP A 4 4.720 -0.943 12.246 1.00 0.00 C ATOM 3 C ASP A 4 3.556 -0.785 11.278 1.00 0.00 C ATOM 4 O ASP A 4 3.758 -0.537 10.088 1.00 0.00 O ATOM 5 CB ASP A 4 5.542 0.348 12.287 1.00 0.00 C ATOM 6 CG ASP A 4 6.503 0.413 13.461 1.00 0.00 C ATOM 7 OD1 ASP A 4 7.454 -0.394 13.507 1.00 0.00 O ATOM 8 OD2 ASP A 4 6.319 1.291 14.337 1.00 0.00 O ATOM 0 HA ASP A 4 4.341 -1.138 13.249 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.107 0.440 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.864 1.200 12.334 1.00 0.00 H new ATOM 13 N TYR A 5 2.341 -0.944 11.782 1.00 0.00 N ATOM 14 CA TYR A 5 1.158 -0.930 10.931 1.00 0.00 C ATOM 15 C TYR A 5 0.704 0.493 10.605 1.00 0.00 C ATOM 16 O TYR A 5 -0.333 0.964 11.069 1.00 0.00 O ATOM 17 CB TYR A 5 0.024 -1.762 11.556 1.00 0.00 C ATOM 18 CG TYR A 5 -0.288 -1.456 13.010 1.00 0.00 C ATOM 19 CD1 TYR A 5 0.461 -2.022 14.036 1.00 0.00 C ATOM 20 CD2 TYR A 5 -1.339 -0.615 13.354 1.00 0.00 C ATOM 21 CE1 TYR A 5 0.170 -1.756 15.361 1.00 0.00 C ATOM 22 CE2 TYR A 5 -1.636 -0.347 14.675 1.00 0.00 C ATOM 23 CZ TYR A 5 -0.878 -0.918 15.674 1.00 0.00 C ATOM 24 OH TYR A 5 -1.175 -0.656 16.992 1.00 0.00 O ATOM 0 H TYR A 5 2.148 -1.084 12.774 1.00 0.00 H new ATOM 0 HA TYR A 5 1.429 -1.395 9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.881 -1.609 10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.283 -2.817 11.473 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.283 -2.680 13.794 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.934 -0.163 12.574 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.761 -2.203 16.147 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.458 0.307 14.924 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.941 -0.046 17.040 1.00 0.00 H new ATOM 34 N VAL A 6 1.503 1.170 9.795 1.00 0.00 N ATOM 35 CA VAL A 6 1.179 2.508 9.324 1.00 0.00 C ATOM 36 C VAL A 6 2.045 2.857 8.115 1.00 0.00 C ATOM 37 O VAL A 6 3.266 2.711 8.146 1.00 0.00 O ATOM 38 CB VAL A 6 1.346 3.567 10.442 1.00 0.00 C ATOM 39 CG1 VAL A 6 2.753 3.539 11.024 1.00 0.00 C ATOM 40 CG2 VAL A 6 1.000 4.958 9.926 1.00 0.00 C ATOM 0 H VAL A 6 2.391 0.809 9.447 1.00 0.00 H new ATOM 0 HA VAL A 6 0.130 2.517 9.027 1.00 0.00 H new ATOM 0 HB VAL A 6 0.650 3.318 11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.838 4.294 11.806 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.952 2.554 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.477 3.749 10.237 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.125 5.685 10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.662 5.214 9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.034 4.971 9.581 1.00 0.00 H new ATOM 50 N MET A 7 1.407 3.295 7.041 1.00 0.00 N ATOM 51 CA MET A 7 2.114 3.556 5.795 1.00 0.00 C ATOM 52 C MET A 7 1.759 4.928 5.233 1.00 0.00 C ATOM 53 O MET A 7 0.584 5.261 5.075 1.00 0.00 O ATOM 54 CB MET A 7 1.783 2.466 4.773 1.00 0.00 C ATOM 55 CG MET A 7 2.399 2.691 3.401 1.00 0.00 C ATOM 56 SD MET A 7 2.014 1.361 2.242 1.00 0.00 S ATOM 57 CE MET A 7 0.224 1.438 2.221 1.00 0.00 C ATOM 0 H MET A 7 0.404 3.477 7.006 1.00 0.00 H new ATOM 0 HA MET A 7 3.184 3.546 6.002 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.124 1.506 5.159 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.700 2.400 4.667 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.039 3.637 2.996 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.481 2.778 3.502 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.152 0.919 1.339 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.171 0.962 3.118 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.095 2.480 2.192 1.00 0.00 H new ATOM 67 N ALA A 8 2.781 5.717 4.933 1.00 0.00 N ATOM 68 CA ALA A 8 2.591 7.024 4.323 1.00 0.00 C ATOM 69 C ALA A 8 2.799 6.931 2.820 1.00 0.00 C ATOM 70 O ALA A 8 3.818 6.412 2.351 1.00 0.00 O ATOM 71 CB ALA A 8 3.546 8.041 4.930 1.00 0.00 C ATOM 0 H ALA A 8 3.756 5.472 5.104 1.00 0.00 H new ATOM 0 HA ALA A 8 1.571 7.356 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.389 9.012 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.360 8.121 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.574 7.719 4.763 1.00 0.00 H new ATOM 77 N THR A 9 1.834 7.419 2.065 1.00 0.00 N ATOM 78 CA THR A 9 1.883 7.324 0.615 1.00 0.00 C ATOM 79 C THR A 9 2.035 8.694 -0.039 1.00 0.00 C ATOM 80 O THR A 9 2.211 9.701 0.651 1.00 0.00 O ATOM 81 CB THR A 9 0.630 6.628 0.053 1.00 0.00 C ATOM 82 OG1 THR A 9 -0.553 7.334 0.449 1.00 0.00 O ATOM 83 CG2 THR A 9 0.551 5.188 0.532 1.00 0.00 C ATOM 0 H THR A 9 1.004 7.886 2.430 1.00 0.00 H new ATOM 0 HA THR A 9 2.761 6.724 0.376 1.00 0.00 H new ATOM 0 HB THR A 9 0.702 6.631 -1.035 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.342 6.882 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.342 4.717 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.434 4.644 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.504 5.169 1.621 1.00 0.00 H new ATOM 91 N LYS A 10 2.017 8.685 -1.374 1.00 0.00 N ATOM 92 CA LYS A 10 2.038 9.886 -2.223 1.00 0.00 C ATOM 93 C LYS A 10 1.395 11.099 -1.556 1.00 0.00 C ATOM 94 O LYS A 10 2.003 12.162 -1.433 1.00 0.00 O ATOM 95 CB LYS A 10 1.243 9.584 -3.490 1.00 0.00 C ATOM 96 CG LYS A 10 1.215 10.711 -4.508 1.00 0.00 C ATOM 97 CD LYS A 10 0.502 10.304 -5.799 1.00 0.00 C ATOM 98 CE LYS A 10 -0.993 10.003 -5.601 1.00 0.00 C ATOM 99 NZ LYS A 10 -1.267 8.839 -4.708 1.00 0.00 N ATOM 0 H LYS A 10 1.987 7.819 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 10 3.082 10.126 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.663 8.696 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.218 9.341 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.714 11.577 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.236 11.016 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.610 11.103 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.991 9.422 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.479 10.887 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.447 9.816 -6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.057 8.284 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.419 8.240 -4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.516 9.181 -3.758 1.00 0.00 H new ATOM 113 N ASP A 11 0.154 10.912 -1.132 1.00 0.00 N ATOM 114 CA ASP A 11 -0.695 11.994 -0.643 1.00 0.00 C ATOM 115 C ASP A 11 -0.211 12.555 0.688 1.00 0.00 C ATOM 116 O ASP A 11 -0.733 13.557 1.172 1.00 0.00 O ATOM 117 CB ASP A 11 -2.124 11.476 -0.480 1.00 0.00 C ATOM 118 CG ASP A 11 -2.691 10.904 -1.763 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.167 9.875 -2.245 1.00 0.00 O ATOM 120 OD2 ASP A 11 -3.666 11.480 -2.288 1.00 0.00 O ATOM 0 H ASP A 11 -0.298 9.998 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.655 12.801 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.141 10.708 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.763 12.289 -0.136 1.00 0.00 H new ATOM 125 N GLY A 12 0.775 11.908 1.282 1.00 0.00 N ATOM 126 CA GLY A 12 1.218 12.295 2.603 1.00 0.00 C ATOM 127 C GLY A 12 0.236 11.840 3.655 1.00 0.00 C ATOM 128 O GLY A 12 0.257 12.310 4.795 1.00 0.00 O ATOM 0 H GLY A 12 1.278 11.120 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.198 11.863 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.332 13.378 2.650 1.00 0.00 H new ATOM 132 N ARG A 13 -0.630 10.917 3.260 1.00 0.00 N ATOM 133 CA ARG A 13 -1.634 10.377 4.154 1.00 0.00 C ATOM 134 C ARG A 13 -1.062 9.186 4.903 1.00 0.00 C ATOM 135 O ARG A 13 -0.290 8.401 4.345 1.00 0.00 O ATOM 136 CB ARG A 13 -2.891 9.950 3.382 1.00 0.00 C ATOM 137 CG ARG A 13 -2.633 8.849 2.363 1.00 0.00 C ATOM 138 CD ARG A 13 -3.926 8.223 1.858 1.00 0.00 C ATOM 139 NE ARG A 13 -4.720 9.143 1.042 1.00 0.00 N ATOM 140 CZ ARG A 13 -5.948 9.552 1.365 1.00 0.00 C ATOM 141 NH1 ARG A 13 -6.490 9.188 2.526 1.00 0.00 N ATOM 142 NH2 ARG A 13 -6.630 10.327 0.530 1.00 0.00 N ATOM 0 H ARG A 13 -0.654 10.527 2.318 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.918 11.156 4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.645 9.608 4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.306 10.818 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.076 9.258 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.009 8.077 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.690 7.335 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.521 7.893 2.709 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.310 9.492 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.966 8.595 3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.429 9.502 2.771 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.215 10.609 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.569 10.640 0.776 1.00 0.00 H new ATOM 156 N MET A 14 -1.440 9.063 6.162 1.00 0.00 N ATOM 157 CA MET A 14 -1.006 7.951 6.989 1.00 0.00 C ATOM 158 C MET A 14 -2.083 6.882 7.006 1.00 0.00 C ATOM 159 O MET A 14 -3.112 7.033 7.665 1.00 0.00 O ATOM 160 CB MET A 14 -0.711 8.419 8.418 1.00 0.00 C ATOM 161 CG MET A 14 0.419 9.430 8.514 1.00 0.00 C ATOM 162 SD MET A 14 2.005 8.749 8.002 1.00 0.00 S ATOM 163 CE MET A 14 3.068 10.177 8.198 1.00 0.00 C ATOM 0 H MET A 14 -2.052 9.726 6.638 1.00 0.00 H new ATOM 0 HA MET A 14 -0.089 7.539 6.568 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.615 8.858 8.840 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.462 7.552 9.030 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.182 10.294 7.893 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.496 9.787 9.541 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.088 9.913 7.918 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.714 10.985 7.557 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.050 10.504 9.238 1.00 0.00 H new ATOM 173 N ILE A 15 -1.861 5.820 6.253 1.00 0.00 N ATOM 174 CA ILE A 15 -2.816 4.732 6.178 1.00 0.00 C ATOM 175 C ILE A 15 -2.602 3.783 7.348 1.00 0.00 C ATOM 176 O ILE A 15 -1.560 3.127 7.444 1.00 0.00 O ATOM 177 CB ILE A 15 -2.698 3.953 4.845 1.00 0.00 C ATOM 178 CG1 ILE A 15 -2.782 4.919 3.659 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.784 2.884 4.744 1.00 0.00 C ATOM 180 CD1 ILE A 15 -2.637 4.246 2.311 1.00 0.00 C ATOM 0 H ILE A 15 -1.025 5.689 5.684 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.817 5.162 6.224 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.729 3.454 4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.739 5.440 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.004 5.675 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.682 2.349 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.681 2.182 5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.765 3.357 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.707 4.994 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.669 3.749 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.431 3.510 2.185 1.00 0.00 H new ATOM 192 N LEU A 16 -3.570 3.751 8.254 1.00 0.00 N ATOM 193 CA LEU A 16 -3.518 2.854 9.401 1.00 0.00 C ATOM 194 C LEU A 16 -3.797 1.428 8.957 1.00 0.00 C ATOM 195 O LEU A 16 -4.905 0.914 9.118 1.00 0.00 O ATOM 196 CB LEU A 16 -4.520 3.265 10.492 1.00 0.00 C ATOM 197 CG LEU A 16 -4.220 4.572 11.238 1.00 0.00 C ATOM 198 CD1 LEU A 16 -2.774 4.608 11.709 1.00 0.00 C ATOM 199 CD2 LEU A 16 -4.539 5.785 10.376 1.00 0.00 C ATOM 0 H LEU A 16 -4.403 4.338 8.217 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.516 2.918 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.506 3.351 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.577 2.459 11.224 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.865 4.609 12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.586 5.544 12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.589 3.770 12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.109 4.535 10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.316 6.695 10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.934 5.756 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.595 5.773 10.108 1.00 0.00 H new ATOM 211 N THR A 17 -2.791 0.811 8.371 1.00 0.00 N ATOM 212 CA THR A 17 -2.911 -0.537 7.856 1.00 0.00 C ATOM 213 C THR A 17 -3.046 -1.538 8.997 1.00 0.00 C ATOM 214 O THR A 17 -2.629 -1.263 10.119 1.00 0.00 O ATOM 215 CB THR A 17 -1.675 -0.906 7.009 1.00 0.00 C ATOM 216 OG1 THR A 17 -0.492 -0.821 7.811 1.00 0.00 O ATOM 217 CG2 THR A 17 -1.533 0.023 5.814 1.00 0.00 C ATOM 0 H THR A 17 -1.870 1.229 8.239 1.00 0.00 H new ATOM 0 HA THR A 17 -3.804 -0.576 7.232 1.00 0.00 H new ATOM 0 HB THR A 17 -1.808 -1.925 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.289 -1.058 7.268 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.654 -0.260 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.421 -0.053 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.422 1.050 6.163 1.00 0.00 H new ATOM 225 N ASP A 18 -3.640 -2.689 8.715 1.00 0.00 N ATOM 226 CA ASP A 18 -3.647 -3.779 9.680 1.00 0.00 C ATOM 227 C ASP A 18 -2.215 -4.268 9.852 1.00 0.00 C ATOM 228 O ASP A 18 -1.790 -4.658 10.939 1.00 0.00 O ATOM 229 CB ASP A 18 -4.554 -4.918 9.211 1.00 0.00 C ATOM 230 CG ASP A 18 -4.806 -5.945 10.295 1.00 0.00 C ATOM 231 OD1 ASP A 18 -5.599 -5.655 11.219 1.00 0.00 O ATOM 232 OD2 ASP A 18 -4.244 -7.058 10.216 1.00 0.00 O ATOM 0 H ASP A 18 -4.118 -2.891 7.837 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.039 -3.426 10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.506 -4.506 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.100 -5.408 8.350 1.00 0.00 H new ATOM 237 N GLY A 19 -1.484 -4.225 8.746 1.00 0.00 N ATOM 238 CA GLY A 19 -0.041 -4.406 8.761 1.00 0.00 C ATOM 239 C GLY A 19 0.423 -5.070 7.493 1.00 0.00 C ATOM 240 O GLY A 19 -0.427 -5.512 6.710 1.00 0.00 O ATOM 0 H GLY A 19 -1.874 -4.064 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.451 -3.440 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.246 -5.011 9.621 1.00 0.00 H new ATOM 244 N LYS A 20 1.745 -5.123 7.240 1.00 0.00 N ATOM 245 CA LYS A 20 2.231 -6.057 6.232 1.00 0.00 C ATOM 246 C LYS A 20 1.930 -5.633 4.795 1.00 0.00 C ATOM 247 O LYS A 20 0.869 -5.953 4.255 1.00 0.00 O ATOM 248 CB LYS A 20 1.746 -7.484 6.493 1.00 0.00 C ATOM 249 CG LYS A 20 2.334 -8.092 7.753 1.00 0.00 C ATOM 250 CD LYS A 20 2.181 -9.602 7.771 1.00 0.00 C ATOM 251 CE LYS A 20 2.847 -10.211 8.987 1.00 0.00 C ATOM 252 NZ LYS A 20 2.870 -11.695 8.916 1.00 0.00 N ATOM 0 H LYS A 20 2.458 -4.556 7.699 1.00 0.00 H new ATOM 0 HA LYS A 20 3.316 -6.038 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.659 -7.483 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.004 -8.111 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.390 -7.832 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.842 -7.666 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.122 -9.862 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.617 -10.024 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.867 -9.835 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.318 -9.898 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.333 -12.076 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.896 -12.055 8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.397 -11.994 8.071 1.00 0.00 H new ATOM 266 N PRO A 21 2.846 -4.884 4.170 1.00 0.00 N ATOM 267 CA PRO A 21 2.747 -4.532 2.764 1.00 0.00 C ATOM 268 C PRO A 21 3.439 -5.562 1.869 1.00 0.00 C ATOM 269 O PRO A 21 4.667 -5.674 1.857 1.00 0.00 O ATOM 270 CB PRO A 21 3.464 -3.188 2.705 1.00 0.00 C ATOM 271 CG PRO A 21 4.492 -3.242 3.793 1.00 0.00 C ATOM 272 CD PRO A 21 4.045 -4.292 4.789 1.00 0.00 C ATOM 0 HA PRO A 21 1.718 -4.497 2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.929 -3.032 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.768 -2.364 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.471 -3.493 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.589 -2.270 4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.820 -5.041 4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.817 -3.850 5.759 1.00 0.00 H new ATOM 280 N GLU A 22 2.646 -6.333 1.144 1.00 0.00 N ATOM 281 CA GLU A 22 3.182 -7.347 0.250 1.00 0.00 C ATOM 282 C GLU A 22 3.382 -6.784 -1.149 1.00 0.00 C ATOM 283 O GLU A 22 2.427 -6.603 -1.901 1.00 0.00 O ATOM 284 CB GLU A 22 2.255 -8.561 0.200 1.00 0.00 C ATOM 285 CG GLU A 22 2.224 -9.362 1.491 1.00 0.00 C ATOM 286 CD GLU A 22 3.569 -9.976 1.827 1.00 0.00 C ATOM 287 OE1 GLU A 22 4.353 -10.254 0.893 1.00 0.00 O ATOM 288 OE2 GLU A 22 3.844 -10.201 3.026 1.00 0.00 O ATOM 0 H GLU A 22 1.628 -6.276 1.157 1.00 0.00 H new ATOM 0 HA GLU A 22 4.151 -7.661 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.244 -8.226 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.570 -9.214 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.910 -8.714 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.478 -10.153 1.406 1.00 0.00 H new ATOM 295 N ILE A 23 4.628 -6.511 -1.489 1.00 0.00 N ATOM 296 CA ILE A 23 4.958 -5.910 -2.770 1.00 0.00 C ATOM 297 C ILE A 23 4.867 -6.940 -3.889 1.00 0.00 C ATOM 298 O ILE A 23 5.643 -7.896 -3.935 1.00 0.00 O ATOM 299 CB ILE A 23 6.371 -5.292 -2.750 1.00 0.00 C ATOM 300 CG1 ILE A 23 6.499 -4.311 -1.579 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.659 -4.585 -4.068 1.00 0.00 C ATOM 302 CD1 ILE A 23 7.876 -3.697 -1.443 1.00 0.00 C ATOM 0 H ILE A 23 5.434 -6.697 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 23 4.234 -5.117 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 23 7.102 -6.090 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.767 -3.513 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.250 -4.830 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.660 -4.154 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.597 -5.302 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.927 -3.792 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.888 -3.015 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.612 -4.485 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.121 -3.148 -2.352 1.00 0.00 H new ATOM 314 N ASP A 24 3.906 -6.740 -4.777 1.00 0.00 N ATOM 315 CA ASP A 24 3.693 -7.642 -5.895 1.00 0.00 C ATOM 316 C ASP A 24 4.647 -7.324 -7.029 1.00 0.00 C ATOM 317 O ASP A 24 4.482 -6.328 -7.734 1.00 0.00 O ATOM 318 CB ASP A 24 2.250 -7.555 -6.401 1.00 0.00 C ATOM 319 CG ASP A 24 1.251 -8.045 -5.381 1.00 0.00 C ATOM 320 OD1 ASP A 24 0.971 -9.265 -5.357 1.00 0.00 O ATOM 321 OD2 ASP A 24 0.756 -7.219 -4.588 1.00 0.00 O ATOM 0 H ASP A 24 3.257 -5.954 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 24 3.883 -8.656 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.021 -6.522 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.152 -8.143 -7.313 1.00 0.00 H new ATOM 326 N ASP A 25 5.639 -8.187 -7.203 1.00 0.00 N ATOM 327 CA ASP A 25 6.647 -8.014 -8.244 1.00 0.00 C ATOM 328 C ASP A 25 6.011 -8.149 -9.622 1.00 0.00 C ATOM 329 O ASP A 25 6.528 -7.643 -10.620 1.00 0.00 O ATOM 330 CB ASP A 25 7.752 -9.058 -8.068 1.00 0.00 C ATOM 331 CG ASP A 25 8.891 -8.885 -9.051 1.00 0.00 C ATOM 332 OD1 ASP A 25 9.807 -8.083 -8.769 1.00 0.00 O ATOM 333 OD2 ASP A 25 8.887 -9.562 -10.097 1.00 0.00 O ATOM 0 H ASP A 25 5.769 -9.022 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 25 7.080 -7.017 -8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.143 -8.997 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.325 -10.054 -8.186 1.00 0.00 H new ATOM 338 N ASP A 26 4.874 -8.831 -9.648 1.00 0.00 N ATOM 339 CA ASP A 26 4.123 -9.068 -10.872 1.00 0.00 C ATOM 340 C ASP A 26 3.709 -7.759 -11.533 1.00 0.00 C ATOM 341 O ASP A 26 4.202 -7.398 -12.601 1.00 0.00 O ATOM 342 CB ASP A 26 2.862 -9.883 -10.570 1.00 0.00 C ATOM 343 CG ASP A 26 3.157 -11.213 -9.914 1.00 0.00 C ATOM 344 OD1 ASP A 26 3.416 -11.232 -8.692 1.00 0.00 O ATOM 345 OD2 ASP A 26 3.107 -12.247 -10.611 1.00 0.00 O ATOM 0 H ASP A 26 4.445 -9.237 -8.816 1.00 0.00 H new ATOM 0 HA ASP A 26 4.774 -9.618 -11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.208 -9.302 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.317 -10.056 -11.498 1.00 0.00 H new ATOM 350 N THR A 27 2.805 -7.049 -10.876 1.00 0.00 N ATOM 351 CA THR A 27 2.188 -5.864 -11.452 1.00 0.00 C ATOM 352 C THR A 27 2.883 -4.582 -11.002 1.00 0.00 C ATOM 353 O THR A 27 2.601 -3.505 -11.526 1.00 0.00 O ATOM 354 CB THR A 27 0.690 -5.797 -11.079 1.00 0.00 C ATOM 355 OG1 THR A 27 0.108 -4.562 -11.518 1.00 0.00 O ATOM 356 CG2 THR A 27 0.496 -5.962 -9.580 1.00 0.00 C ATOM 0 H THR A 27 2.480 -7.275 -9.936 1.00 0.00 H new ATOM 0 HA THR A 27 2.292 -5.944 -12.534 1.00 0.00 H new ATOM 0 HB THR A 27 0.185 -6.619 -11.587 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.808 -3.881 -11.599 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.567 -5.911 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.892 -6.928 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.023 -5.166 -9.055 1.00 0.00 H new ATOM 364 N GLY A 28 3.782 -4.693 -10.038 1.00 0.00 N ATOM 365 CA GLY A 28 4.437 -3.515 -9.522 1.00 0.00 C ATOM 366 C GLY A 28 3.524 -2.755 -8.584 1.00 0.00 C ATOM 367 O GLY A 28 3.506 -1.522 -8.576 1.00 0.00 O ATOM 0 H GLY A 28 4.067 -5.572 -9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.348 -3.802 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.735 -2.869 -10.348 1.00 0.00 H new ATOM 371 N LEU A 29 2.752 -3.501 -7.804 1.00 0.00 N ATOM 372 CA LEU A 29 1.840 -2.913 -6.836 1.00 0.00 C ATOM 373 C LEU A 29 2.172 -3.425 -5.438 1.00 0.00 C ATOM 374 O LEU A 29 3.072 -4.243 -5.276 1.00 0.00 O ATOM 375 CB LEU A 29 0.379 -3.240 -7.187 1.00 0.00 C ATOM 376 CG LEU A 29 -0.090 -2.804 -8.584 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.588 -3.006 -8.732 1.00 0.00 C ATOM 378 CD2 LEU A 29 0.275 -1.358 -8.864 1.00 0.00 C ATOM 0 H LEU A 29 2.741 -4.521 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 29 1.960 -1.830 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.236 -4.317 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.266 -2.770 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 29 0.423 -3.429 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.901 -2.692 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.829 -4.060 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.111 -2.412 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.071 -1.082 -9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.198 -0.713 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.357 -1.239 -8.810 1.00 0.00 H new ATOM 390 N VAL A 30 1.458 -2.938 -4.434 1.00 0.00 N ATOM 391 CA VAL A 30 1.671 -3.372 -3.059 1.00 0.00 C ATOM 392 C VAL A 30 0.356 -3.795 -2.416 1.00 0.00 C ATOM 393 O VAL A 30 -0.546 -2.976 -2.239 1.00 0.00 O ATOM 394 CB VAL A 30 2.312 -2.257 -2.200 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.510 -2.730 -0.770 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.633 -1.798 -2.793 1.00 0.00 C ATOM 0 H VAL A 30 0.723 -2.239 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 30 2.353 -4.222 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 30 1.630 -1.407 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.962 -1.931 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.545 -2.997 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.165 -3.601 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.060 -1.014 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.323 -2.640 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.465 -1.410 -3.798 1.00 0.00 H new ATOM 406 N SER A 31 0.250 -5.072 -2.086 1.00 0.00 N ATOM 407 CA SER A 31 -0.911 -5.593 -1.384 1.00 0.00 C ATOM 408 C SER A 31 -0.802 -5.294 0.110 1.00 0.00 C ATOM 409 O SER A 31 -0.084 -5.978 0.840 1.00 0.00 O ATOM 410 CB SER A 31 -1.041 -7.104 -1.604 1.00 0.00 C ATOM 411 OG SER A 31 -1.246 -7.415 -2.974 1.00 0.00 O ATOM 0 H SER A 31 0.961 -5.772 -2.296 1.00 0.00 H new ATOM 0 HA SER A 31 -1.800 -5.104 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.140 -7.603 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.873 -7.488 -1.014 1.00 0.00 H new ATOM 0 HG SER A 31 -0.494 -7.074 -3.503 1.00 0.00 H new ATOM 417 N TYR A 32 -1.492 -4.257 0.552 1.00 0.00 N ATOM 418 CA TYR A 32 -1.506 -3.897 1.959 1.00 0.00 C ATOM 419 C TYR A 32 -2.805 -4.373 2.595 1.00 0.00 C ATOM 420 O TYR A 32 -3.674 -4.917 1.913 1.00 0.00 O ATOM 421 CB TYR A 32 -1.349 -2.378 2.139 1.00 0.00 C ATOM 422 CG TYR A 32 -2.627 -1.577 1.948 1.00 0.00 C ATOM 423 CD1 TYR A 32 -3.181 -1.374 0.690 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.275 -1.017 3.042 1.00 0.00 C ATOM 425 CE1 TYR A 32 -4.343 -0.640 0.532 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.435 -0.284 2.892 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.966 -0.097 1.636 1.00 0.00 C ATOM 428 OH TYR A 32 -6.118 0.640 1.484 1.00 0.00 O ATOM 0 H TYR A 32 -2.051 -3.648 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.664 -4.383 2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.961 -2.183 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.602 -2.018 1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.697 -1.796 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.863 -1.158 4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.761 -0.493 -0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.924 0.141 3.756 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.427 0.948 2.361 1.00 0.00 H new ATOM 438 N HIS A 33 -2.940 -4.168 3.893 1.00 0.00 N ATOM 439 CA HIS A 33 -4.151 -4.556 4.597 1.00 0.00 C ATOM 440 C HIS A 33 -4.830 -3.331 5.194 1.00 0.00 C ATOM 441 O HIS A 33 -4.216 -2.590 5.960 1.00 0.00 O ATOM 442 CB HIS A 33 -3.838 -5.580 5.694 1.00 0.00 C ATOM 443 CG HIS A 33 -3.361 -6.897 5.162 1.00 0.00 C ATOM 444 ND1 HIS A 33 -2.029 -7.259 5.118 1.00 0.00 N ATOM 445 CD2 HIS A 33 -4.050 -7.942 4.643 1.00 0.00 C ATOM 446 CE1 HIS A 33 -1.924 -8.467 4.593 1.00 0.00 C ATOM 447 NE2 HIS A 33 -3.134 -8.901 4.298 1.00 0.00 N ATOM 0 H HIS A 33 -2.228 -3.736 4.481 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.830 -5.019 3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.078 -5.168 6.358 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.733 -5.742 6.295 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.250 -6.685 5.440 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.121 -8.007 4.524 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.003 -9.008 4.433 1.00 0.00 H new ATOM 456 N ASP A 34 -6.087 -3.120 4.810 1.00 0.00 N ATOM 457 CA ASP A 34 -6.906 -2.018 5.330 1.00 0.00 C ATOM 458 C ASP A 34 -6.999 -2.000 6.841 1.00 0.00 C ATOM 459 O ASP A 34 -6.533 -2.909 7.530 1.00 0.00 O ATOM 460 CB ASP A 34 -8.336 -2.114 4.799 1.00 0.00 C ATOM 461 CG ASP A 34 -8.719 -0.965 3.902 1.00 0.00 C ATOM 462 OD1 ASP A 34 -8.418 0.194 4.261 1.00 0.00 O ATOM 463 OD2 ASP A 34 -9.363 -1.209 2.870 1.00 0.00 O ATOM 0 H ASP A 34 -6.570 -3.706 4.129 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.408 -1.109 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.450 -3.048 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.027 -2.154 5.641 1.00 0.00 H new ATOM 468 N GLN A 35 -7.654 -0.962 7.339 1.00 0.00 N ATOM 469 CA GLN A 35 -8.042 -0.891 8.735 1.00 0.00 C ATOM 470 C GLN A 35 -9.006 -2.032 9.032 1.00 0.00 C ATOM 471 O GLN A 35 -9.050 -2.566 10.138 1.00 0.00 O ATOM 472 CB GLN A 35 -8.719 0.453 9.022 1.00 0.00 C ATOM 473 CG GLN A 35 -7.860 1.657 8.673 1.00 0.00 C ATOM 474 CD GLN A 35 -8.638 2.956 8.680 1.00 0.00 C ATOM 475 OE1 GLN A 35 -9.163 3.388 7.653 1.00 0.00 O ATOM 476 NE2 GLN A 35 -8.733 3.583 9.838 1.00 0.00 N ATOM 0 H GLN A 35 -7.929 -0.149 6.787 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.160 -0.977 9.369 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.651 0.508 8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.981 0.499 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.037 1.728 9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.418 1.509 7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.284 3.194 10.667 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.255 4.457 9.904 1.00 0.00 H new ATOM 485 N GLN A 36 -9.763 -2.406 8.004 1.00 0.00 N ATOM 486 CA GLN A 36 -10.715 -3.505 8.096 1.00 0.00 C ATOM 487 C GLN A 36 -10.023 -4.846 7.857 1.00 0.00 C ATOM 488 O GLN A 36 -10.586 -5.906 8.134 1.00 0.00 O ATOM 489 CB GLN A 36 -11.839 -3.308 7.073 1.00 0.00 C ATOM 490 CG GLN A 36 -12.470 -1.924 7.118 1.00 0.00 C ATOM 491 CD GLN A 36 -12.924 -1.518 8.510 1.00 0.00 C ATOM 492 OE1 GLN A 36 -13.308 -2.355 9.326 1.00 0.00 O ATOM 493 NE2 GLN A 36 -12.867 -0.229 8.794 1.00 0.00 N ATOM 0 H GLN A 36 -9.733 -1.957 7.089 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.137 -3.511 9.101 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.443 -3.485 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.612 -4.056 7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.751 -1.192 6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.325 -1.899 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.543 0.434 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.147 0.103 9.717 1.00 0.00 H new ATOM 502 N GLY A 37 -8.800 -4.789 7.341 1.00 0.00 N ATOM 503 CA GLY A 37 -8.042 -6.002 7.083 1.00 0.00 C ATOM 504 C GLY A 37 -8.014 -6.379 5.613 1.00 0.00 C ATOM 505 O GLY A 37 -7.404 -7.377 5.238 1.00 0.00 O ATOM 0 H GLY A 37 -8.318 -3.924 7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.020 -5.868 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.474 -6.823 7.655 1.00 0.00 H new ATOM 509 N ASN A 38 -8.661 -5.562 4.784 1.00 0.00 N ATOM 510 CA ASN A 38 -8.755 -5.818 3.343 1.00 0.00 C ATOM 511 C ASN A 38 -7.378 -5.950 2.705 1.00 0.00 C ATOM 512 O ASN A 38 -6.516 -5.095 2.904 1.00 0.00 O ATOM 513 CB ASN A 38 -9.486 -4.674 2.638 1.00 0.00 C ATOM 514 CG ASN A 38 -10.914 -4.475 3.100 1.00 0.00 C ATOM 515 OD1 ASN A 38 -11.610 -5.426 3.455 1.00 0.00 O ATOM 516 ND2 ASN A 38 -11.350 -3.222 3.116 1.00 0.00 N ATOM 0 H ASN A 38 -9.132 -4.710 5.086 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.303 -6.753 3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.931 -3.749 2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.486 -4.864 1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.298 -3.016 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.737 -2.465 2.813 1.00 0.00 H new ATOM 523 N ALA A 39 -7.174 -7.015 1.944 1.00 0.00 N ATOM 524 CA ALA A 39 -5.964 -7.157 1.150 1.00 0.00 C ATOM 525 C ALA A 39 -6.121 -6.406 -0.168 1.00 0.00 C ATOM 526 O ALA A 39 -6.775 -6.884 -1.096 1.00 0.00 O ATOM 527 CB ALA A 39 -5.653 -8.624 0.896 1.00 0.00 C ATOM 0 H ALA A 39 -7.830 -7.792 1.860 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.129 -6.729 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.744 -8.705 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.510 -9.136 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.482 -9.084 0.358 1.00 0.00 H new ATOM 533 N MET A 40 -5.536 -5.221 -0.240 1.00 0.00 N ATOM 534 CA MET A 40 -5.723 -4.344 -1.389 1.00 0.00 C ATOM 535 C MET A 40 -4.390 -3.875 -1.947 1.00 0.00 C ATOM 536 O MET A 40 -3.434 -3.679 -1.203 1.00 0.00 O ATOM 537 CB MET A 40 -6.590 -3.155 -0.987 1.00 0.00 C ATOM 538 CG MET A 40 -8.033 -3.550 -0.743 1.00 0.00 C ATOM 539 SD MET A 40 -8.969 -2.340 0.209 1.00 0.00 S ATOM 540 CE MET A 40 -8.486 -0.792 -0.547 1.00 0.00 C ATOM 0 H MET A 40 -4.926 -4.842 0.484 1.00 0.00 H new ATOM 0 HA MET A 40 -6.226 -4.904 -2.177 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.183 -2.700 -0.084 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.551 -2.398 -1.771 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.525 -3.702 -1.703 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.054 -4.506 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.111 0.013 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.441 -0.584 -0.315 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.611 -0.860 -1.628 1.00 0.00 H new ATOM 550 N GLN A 41 -4.331 -3.689 -3.257 1.00 0.00 N ATOM 551 CA GLN A 41 -3.084 -3.341 -3.919 1.00 0.00 C ATOM 552 C GLN A 41 -3.030 -1.855 -4.247 1.00 0.00 C ATOM 553 O GLN A 41 -3.922 -1.323 -4.909 1.00 0.00 O ATOM 554 CB GLN A 41 -2.917 -4.152 -5.207 1.00 0.00 C ATOM 555 CG GLN A 41 -2.941 -5.658 -4.994 1.00 0.00 C ATOM 556 CD GLN A 41 -2.803 -6.443 -6.285 1.00 0.00 C ATOM 557 OE1 GLN A 41 -2.094 -5.884 -7.251 1.00 0.00 O flip ATOM 558 NE2 GLN A 41 -3.329 -7.544 -6.415 1.00 0.00 N flip ATOM 0 H GLN A 41 -5.132 -3.773 -3.882 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.271 -3.577 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.712 -3.880 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.974 -3.876 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.132 -5.936 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.875 -5.935 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.869 -7.945 -5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.226 -8.058 -7.290 1.00 0.00 H new ATOM 567 N ILE A 42 -1.991 -1.187 -3.768 1.00 0.00 N ATOM 568 CA ILE A 42 -1.731 0.192 -4.153 1.00 0.00 C ATOM 569 C ILE A 42 -0.530 0.230 -5.082 1.00 0.00 C ATOM 570 O ILE A 42 0.073 -0.803 -5.356 1.00 0.00 O ATOM 571 CB ILE A 42 -1.465 1.124 -2.947 1.00 0.00 C ATOM 572 CG1 ILE A 42 -0.099 0.842 -2.308 1.00 0.00 C ATOM 573 CG2 ILE A 42 -2.575 0.982 -1.917 1.00 0.00 C ATOM 574 CD1 ILE A 42 0.397 1.986 -1.458 1.00 0.00 C ATOM 0 H ILE A 42 -1.314 -1.578 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.630 0.559 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.452 2.150 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.168 -0.057 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.629 0.637 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.376 1.643 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.529 1.250 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.617 -0.050 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.367 1.729 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.496 2.880 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.313 2.176 -0.653 1.00 0.00 H new ATOM 586 N ASN A 43 -0.177 1.408 -5.555 1.00 0.00 N ATOM 587 CA ASN A 43 0.937 1.550 -6.478 1.00 0.00 C ATOM 588 C ASN A 43 2.264 1.421 -5.728 1.00 0.00 C ATOM 589 O ASN A 43 2.477 2.093 -4.721 1.00 0.00 O ATOM 590 CB ASN A 43 0.843 2.900 -7.189 1.00 0.00 C ATOM 591 CG ASN A 43 1.742 2.990 -8.408 1.00 0.00 C ATOM 592 OD1 ASN A 43 2.889 3.634 -8.259 1.00 0.00 O flip ATOM 593 ND2 ASN A 43 1.387 2.518 -9.486 1.00 0.00 N flip ATOM 0 H ASN A 43 -0.644 2.283 -5.317 1.00 0.00 H new ATOM 0 HA ASN A 43 0.892 0.757 -7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.190 3.074 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.108 3.693 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.495 2.028 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.984 2.616 -10.307 1.00 0.00 H new ATOM 600 N ARG A 44 3.144 0.549 -6.215 1.00 0.00 N ATOM 601 CA ARG A 44 4.450 0.321 -5.585 1.00 0.00 C ATOM 602 C ARG A 44 5.220 1.623 -5.416 1.00 0.00 C ATOM 603 O ARG A 44 5.813 1.881 -4.371 1.00 0.00 O ATOM 604 CB ARG A 44 5.275 -0.641 -6.438 1.00 0.00 C ATOM 605 CG ARG A 44 6.696 -0.858 -5.947 1.00 0.00 C ATOM 606 CD ARG A 44 7.554 -1.467 -7.041 1.00 0.00 C ATOM 607 NE ARG A 44 7.623 -0.601 -8.221 1.00 0.00 N ATOM 608 CZ ARG A 44 7.978 -1.015 -9.435 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.278 -2.291 -9.653 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.018 -0.148 -10.439 1.00 0.00 N ATOM 0 H ARG A 44 2.978 -0.016 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 44 4.274 -0.108 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.765 -1.604 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.311 -0.262 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.125 0.092 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.689 -1.513 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.560 -1.643 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.147 -2.437 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 44 7.383 0.384 -8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.237 -2.963 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.549 -2.599 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.777 0.830 -10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.289 -0.460 -11.372 1.00 0.00 H new ATOM 624 N ASP A 45 5.195 2.444 -6.453 1.00 0.00 N ATOM 625 CA ASP A 45 5.940 3.694 -6.456 1.00 0.00 C ATOM 626 C ASP A 45 5.126 4.815 -5.817 1.00 0.00 C ATOM 627 O ASP A 45 5.516 5.978 -5.851 1.00 0.00 O ATOM 628 CB ASP A 45 6.326 4.069 -7.886 1.00 0.00 C ATOM 629 CG ASP A 45 7.250 3.050 -8.523 1.00 0.00 C ATOM 630 OD1 ASP A 45 6.769 1.958 -8.907 1.00 0.00 O ATOM 631 OD2 ASP A 45 8.455 3.332 -8.647 1.00 0.00 O ATOM 0 H ASP A 45 4.665 2.267 -7.307 1.00 0.00 H new ATOM 0 HA ASP A 45 6.847 3.555 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.423 4.164 -8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.812 5.045 -7.884 1.00 0.00 H new ATOM 636 N ASP A 46 3.987 4.454 -5.239 1.00 0.00 N ATOM 637 CA ASP A 46 3.144 5.418 -4.542 1.00 0.00 C ATOM 638 C ASP A 46 3.472 5.381 -3.059 1.00 0.00 C ATOM 639 O ASP A 46 3.178 6.316 -2.311 1.00 0.00 O ATOM 640 CB ASP A 46 1.669 5.085 -4.757 1.00 0.00 C ATOM 641 CG ASP A 46 0.752 6.258 -4.482 1.00 0.00 C ATOM 642 OD1 ASP A 46 0.421 6.509 -3.306 1.00 0.00 O ATOM 643 OD2 ASP A 46 0.348 6.930 -5.454 1.00 0.00 O ATOM 0 H ASP A 46 3.625 3.500 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 46 3.334 6.416 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.524 4.750 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.391 4.254 -4.109 1.00 0.00 H new ATOM 648 N VAL A 47 4.089 4.278 -2.645 1.00 0.00 N ATOM 649 CA VAL A 47 4.517 4.103 -1.266 1.00 0.00 C ATOM 650 C VAL A 47 5.653 5.070 -0.961 1.00 0.00 C ATOM 651 O VAL A 47 6.775 4.897 -1.436 1.00 0.00 O ATOM 652 CB VAL A 47 4.992 2.659 -0.990 1.00 0.00 C ATOM 653 CG1 VAL A 47 5.052 2.391 0.501 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.087 1.650 -1.674 1.00 0.00 C ATOM 0 H VAL A 47 4.304 3.488 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 47 3.660 4.305 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 47 5.996 2.551 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.389 1.369 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.749 3.087 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.061 2.525 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.443 0.641 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.069 1.761 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.098 1.822 -2.750 1.00 0.00 H new ATOM 664 N SER A 48 5.352 6.090 -0.179 1.00 0.00 N ATOM 665 CA SER A 48 6.292 7.170 0.059 1.00 0.00 C ATOM 666 C SER A 48 7.240 6.844 1.210 1.00 0.00 C ATOM 667 O SER A 48 8.455 6.998 1.080 1.00 0.00 O ATOM 668 CB SER A 48 5.526 8.465 0.334 1.00 0.00 C ATOM 669 OG SER A 48 6.401 9.561 0.550 1.00 0.00 O ATOM 0 H SER A 48 4.460 6.193 0.304 1.00 0.00 H new ATOM 0 HA SER A 48 6.904 7.299 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.870 8.685 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.889 8.331 1.208 1.00 0.00 H new ATOM 0 HG SER A 48 5.876 10.370 0.721 1.00 0.00 H new ATOM 675 N GLN A 49 6.691 6.396 2.334 1.00 0.00 N ATOM 676 CA GLN A 49 7.504 6.109 3.505 1.00 0.00 C ATOM 677 C GLN A 49 6.733 5.260 4.506 1.00 0.00 C ATOM 678 O GLN A 49 5.547 5.482 4.741 1.00 0.00 O ATOM 679 CB GLN A 49 7.928 7.416 4.180 1.00 0.00 C ATOM 680 CG GLN A 49 9.028 7.250 5.218 1.00 0.00 C ATOM 681 CD GLN A 49 10.411 7.168 4.596 1.00 0.00 C ATOM 682 OE1 GLN A 49 11.067 8.189 4.394 1.00 0.00 O ATOM 683 NE2 GLN A 49 10.868 5.962 4.296 1.00 0.00 N ATOM 0 H GLN A 49 5.693 6.225 2.457 1.00 0.00 H new ATOM 0 HA GLN A 49 8.385 5.558 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.267 8.114 3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.057 7.865 4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.996 8.089 5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.841 6.347 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.294 5.139 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.794 5.856 3.882 1.00 0.00 H new ATOM 692 N ILE A 50 7.399 4.278 5.079 1.00 0.00 N ATOM 693 CA ILE A 50 6.837 3.528 6.186 1.00 0.00 C ATOM 694 C ILE A 50 7.474 4.011 7.481 1.00 0.00 C ATOM 695 O ILE A 50 8.644 3.732 7.745 1.00 0.00 O ATOM 696 CB ILE A 50 7.049 1.992 6.052 1.00 0.00 C ATOM 697 CG1 ILE A 50 6.341 1.428 4.810 1.00 0.00 C ATOM 698 CG2 ILE A 50 6.556 1.275 7.302 1.00 0.00 C ATOM 699 CD1 ILE A 50 7.073 1.677 3.507 1.00 0.00 C ATOM 0 H ILE A 50 8.332 3.980 4.796 1.00 0.00 H new ATOM 0 HA ILE A 50 5.761 3.702 6.184 1.00 0.00 H new ATOM 0 HB ILE A 50 8.119 1.819 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.208 0.354 4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.345 1.867 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.712 0.202 7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.109 1.634 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.494 1.475 7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.505 1.247 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.183 2.750 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.059 1.214 3.549 1.00 0.00 H new ATOM 711 N ILE A 51 6.724 4.778 8.261 1.00 0.00 N ATOM 712 CA ILE A 51 7.227 5.280 9.531 1.00 0.00 C ATOM 713 C ILE A 51 7.257 4.160 10.562 1.00 0.00 C ATOM 714 O ILE A 51 6.219 3.662 10.996 1.00 0.00 O ATOM 715 CB ILE A 51 6.403 6.479 10.055 1.00 0.00 C ATOM 716 CG1 ILE A 51 4.905 6.170 10.037 1.00 0.00 C ATOM 717 CG2 ILE A 51 6.700 7.718 9.223 1.00 0.00 C ATOM 718 CD1 ILE A 51 4.055 7.249 10.673 1.00 0.00 C ATOM 0 H ILE A 51 5.771 5.064 8.038 1.00 0.00 H new ATOM 0 HA ILE A 51 8.242 5.641 9.362 1.00 0.00 H new ATOM 0 HB ILE A 51 6.692 6.667 11.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.584 6.028 9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.731 5.228 10.557 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.115 8.558 9.599 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.762 7.956 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.436 7.529 8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.005 6.961 10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.348 7.376 11.715 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.199 8.188 10.139 1.00 0.00 H new ATOM 730 N GLU A 52 8.457 3.746 10.926 1.00 0.00 N ATOM 731 CA GLU A 52 8.632 2.613 11.814 1.00 0.00 C ATOM 732 C GLU A 52 9.438 2.993 13.052 1.00 0.00 C ATOM 733 O GLU A 52 10.492 3.635 12.946 1.00 0.00 O ATOM 734 CB GLU A 52 9.316 1.465 11.065 1.00 0.00 C ATOM 735 CG GLU A 52 10.587 1.879 10.342 1.00 0.00 C ATOM 736 CD GLU A 52 11.308 0.713 9.706 1.00 0.00 C ATOM 737 OE1 GLU A 52 12.123 0.066 10.398 1.00 0.00 O ATOM 738 OE2 GLU A 52 11.079 0.444 8.508 1.00 0.00 O ATOM 0 H GLU A 52 9.327 4.180 10.619 1.00 0.00 H new ATOM 0 HA GLU A 52 7.646 2.289 12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.554 0.671 11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.616 1.047 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.340 2.610 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.256 2.372 11.047 1.00 0.00 H new ATOM 745 N ARG A 53 8.920 2.604 14.220 1.00 0.00 N ATOM 746 CA ARG A 53 9.618 2.770 15.497 1.00 0.00 C ATOM 747 C ARG A 53 9.735 4.249 15.910 1.00 0.00 C ATOM 748 O ARG A 53 9.630 5.157 15.080 1.00 0.00 O ATOM 749 CB ARG A 53 11.005 2.099 15.426 1.00 0.00 C ATOM 750 CG ARG A 53 11.820 2.189 16.707 1.00 0.00 C ATOM 751 CD ARG A 53 13.093 1.353 16.636 1.00 0.00 C ATOM 752 NE ARG A 53 13.937 1.703 15.495 1.00 0.00 N ATOM 753 CZ ARG A 53 15.182 2.174 15.603 1.00 0.00 C ATOM 754 NH1 ARG A 53 15.715 2.412 16.797 1.00 0.00 N ATOM 755 NH2 ARG A 53 15.903 2.394 14.513 1.00 0.00 N ATOM 0 H ARG A 53 8.004 2.165 14.307 1.00 0.00 H new ATOM 0 HA ARG A 53 9.025 2.280 16.269 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.873 1.048 15.169 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.574 2.556 14.616 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.081 3.230 16.898 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.212 1.853 17.547 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.661 1.486 17.557 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.826 0.298 16.575 1.00 0.00 H new ATOM 0 HE ARG A 53 13.551 1.580 14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.172 2.235 17.642 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.667 2.772 16.868 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.507 2.204 13.593 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.854 2.754 14.595 1.00 0.00 H new TER 769 ARG A 53